pushing the frontiers of density functionals by solving the fractional electron problem || machine-learning methods used to improve density functional theory models of chemical systems || dm21 models complex systems such as hydrogen chains, charged dna base pairs, diradical transition states. - discu.eu

Reddit

Pushing the frontiers of density functionals by solving the fractional electron problem || Machine-Learning methods used to improve Density Functional Theory models of chemical systems || DM21 models complex systems such as hydrogen chains, charged DNA base pairs, diradical transition states. https://www.science.org/doi/10.1126/science.abj6511 2 comments 12/12/2021 science